Adp disodium salt

ATP-disodium salt (ATP-2Na) (99%), ADP-disodium salt (ADP-2Na) (≧95%), AMP-disodium salt (AMP-2Na) (99%), DHB (98%), CHCA (98%), and aniline were purchased from Sigma-Aldrich (St. Louis, MO, USA). Tri-n-Butylamine and 1-methylimidazole were purchased from Alfa Aesar (Tewksbury, MA, USA). Butylamine and tri-n-propylamine were purchased from Acros Organics (Geel, Belgium). Pyridine was purchased from Showa (Saitama, Japan). Methyl alcohol (≥99.9%), ethyl alcohol (≥99.9%), and acetonitrile (≥99.9%) were purchased from Avantor (Radnor, PA, USA). The chemicals were used without further purification and pretreatment before experiments. Water was purified using a purification system (PORETECH, Ultrapure water system, Taiwan); all organic solvents were all HPLC grade.

The compounds composing the focused library were identified using computational chemistry methods. Briefly, the eMolecules catalogue of commercially available compounds was filtered for acceptable drug-like molecular properties. After filtering, compounds were computationally scored (using both 2D and 3D methods) for their potential to occupy portions of the D-amino acid and FAD-binding pockets within hDAAO. The 1016 best scoring compounds were purchased from eMolecules for screening. Please see Supplementary Online Data (at http://www.bioscirep.org/bsr/034/bsr034e133add.htm) for details on library assembly and screening.
Compound 1 (4H-furo[3,2-b]pyrrole-5-carboxylic acid) was synthesized as described previously [27 (link)]. Compound 2 [3-(7-hydroxy-2-oxo-4-phenyl-2H-chromen-6-yl)propanoic acid] was purchased from eMolecules as an original compound from the focused library screen. Compound 3 [4-hydroxy-6-(2-(7-hydroxy-2-oxo-4-phenyl-2H-chromen-6-yl)ethyl)pyridazin-3(2H)-one], Compound 5 (6-(2,4-dihydroxyphenethyl)-4-hydroxypyridazin-3(2H)-one) and Compound 6 (6-(2,4-dimethoxyphenethyl)-4-hydroxypyridazin-3(2H)-one) were synthesized and characterized by NMR and MS. Synthesis and analytical details are described in the Supplementary Online Data. ADP disodium salt was purchased from Sigma-Aldrich and Compound 4 was purchased from eMolecules.